U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C26H43N5O7
Molecular Weight 537.6489
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DES(BENZYLPYRIDYL) ATAZANAVIR

SMILES

COC(=O)N[C@H](C(=O)NNC[C@H](O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C

InChI

InChIKey=LUAXFCAWZAZCNR-VNTMZGSJSA-N
InChI=1S/C26H43N5O7/c1-25(2,3)19(29-23(35)37-7)21(33)28-17(14-16-12-10-9-11-13-16)18(32)15-27-31-22(34)20(26(4,5)6)30-24(36)38-8/h9-13,17-20,27,32H,14-15H2,1-8H3,(H,28,33)(H,29,35)(H,30,36)(H,31,34)/t17-,18-,19+,20+/m0/s1

HIDE SMILES / InChI

Molecular Formula C26H43N5O7
Molecular Weight 537.6489
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:16:51 GMT 2023
Edited
by admin
on Sat Dec 16 11:16:51 GMT 2023
Record UNII
86FTF3PBY2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DES(BENZYLPYRIDYL) ATAZANAVIR
Common Name English
1,14-DIMETHYL (3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-2,5,6,10,13-PENTAAZATETRADECANEDIOATE
Systematic Name English
2,5,6,10,13-PENTAAZATETRADECANEDIOIC ACID, 3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-, 1,14-DIMETHYL ESTER, (3S,8S,9S,12S)-
Systematic Name English
ATAZANAVIR SULFATE IMPURITY C [EP IMPURITY]
Common Name English
Code System Code Type Description
PUBCHEM
91799105
Created by admin on Sat Dec 16 11:16:51 GMT 2023 , Edited by admin on Sat Dec 16 11:16:51 GMT 2023
PRIMARY
EPA CompTox
DTXSID10747499
Created by admin on Sat Dec 16 11:16:51 GMT 2023 , Edited by admin on Sat Dec 16 11:16:51 GMT 2023
PRIMARY
CAS
1192224-24-0
Created by admin on Sat Dec 16 11:16:51 GMT 2023 , Edited by admin on Sat Dec 16 11:16:51 GMT 2023
PRIMARY
FDA UNII
86FTF3PBY2
Created by admin on Sat Dec 16 11:16:51 GMT 2023 , Edited by admin on Sat Dec 16 11:16:51 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP